N-(2-bromoethyl)-N-cyclopropylfuran-3-carboxamide

C10H12BrNO2 — CID 80665124

IUPACN-(2-bromoethyl)-N-cyclopropylfuran-3-carboxamide
SMILESO=C(c1ccoc1)N(CCBr)C1CC1
InChIInChI=1S/C10H12BrNO2/c11-4-5-12(9-1-2-9)10(13)8-3-6-14-7-8/h3,6-7,9H,1-2,4-5H2
InChIKeyWQLMZPFKYQXSNT-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.28
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopropylfuran-3-carboxamide

N-(2-bromoethyl)-N-cyclopropylfuran-3-carboxamide (PubChem CID 80665124) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropylfuran-3-carboxamide
PubChem CID80665124
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC NameN-(2-bromoethyl)-N-cyclopropylfuran-3-carboxamide
SMILESO=C(c1ccoc1)N(CCBr)C1CC1
InChIInChI=1S/C10H12BrNO2/c11-4-5-12(9-1-2-9)10(13)8-3-6-14-7-8/h3,6-7,9H,1-2,4-5H2
InChIKeyWQLMZPFKYQXSNT-UHFFFAOYSA-N
XLogP2.28
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)furan-3-carboxamide
CID 43576881
N-cyclopropyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 814973
N-(3-aminopropyl)-N-cycloheptylfuran-3-carboxamide
CID 43136891
N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]furan-3-carboxamide
CID 5048266
N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]furan-3-carboxamide
CID 86819576
N-(2-bromoethyl)-N-cyclopropyl-3,5-difluorobenzamide
CID 80677748
N-(2-bromoethyl)-N-cyclopropylnaphthalene-2-carboxamide
CID 80665126
N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide
CID 102873060
N-(2-bromoethyl)-5-chloro-N-cyclopropylfuran-2-carboxamide
CID 106689937
N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide
CID 114823139
N-(2-bromoethyl)-N-cyclopropyl-1-phenylpyrazole-4-carboxamide
CID 80666261
N-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
CID 80656410

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopropylfuran-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropylfuran-3-carboxamide (CID 80665124) is N-(2-bromoethyl)-N-cyclopropylfuran-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropylfuran-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropylfuran-3-carboxamide is O=C(c1ccoc1)N(CCBr)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropylfuran-3-carboxamide?
The InChIKey is WQLMZPFKYQXSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-4-5-12(9-1-2-9)10(13)8-3-6-14-7-8/h3,6-7,9H,1-2,4-5H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopropylfuran-3-carboxamide?
N-(2-bromoethyl)-N-cyclopropylfuran-3-carboxamide has a molecular weight of 258.11 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopropylfuran-3-carboxamide is sourced from PubChem (CID 80665124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).